[gmx-users] Partial density versus time

[Faezeh Pousaneh]

Hi Tsjerk,

Thanks, but my question it is not that simple.
I am dealing with phase separation of a two-component system. At the end of
simulation the mixed system phase separate to two phases, one is rich in
one component and the other phase is rich with the other component. So I
want to see how each component  reachs those fractions by time?



Best regards


On Wed, Apr 6, 2016 at 4:58 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Faezeh,
>
> Using -b/-e flags you can get the density profile over a window of time (or
> a single frame). Afterwards you can combine the results to have a density
> profile over time.
>
> Hope it helps,
>
> Tsjerk
>
> On Wed, Apr 6, 2016 at 4:29 PM, Faezeh Pousaneh <fpoosaneh at gmail.com>
> wrote:
>
> > Hi,
> >
> > Is it possible to obtain partial density versus time in Gromacs?
> Precisely,
> > I have a system of two components which separate by time. I need the
> > evolution of density of each phase by time?
> >
> > thanks.
> > Best regards
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> --
> Tsjerk A. Wassenaar, Ph.D.
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